| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:21 UTC |
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| Update Date | 2025-03-25 00:46:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154340 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17N3O4 |
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| Molecular Mass | 315.1219 |
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| SMILES | COc1cc(C=CC(=O)O)ccc1OCc1cnc(C)nc1N |
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| InChI Key | YQPKRHFSGDWLDY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalkyl aryl ethercarboxylic acid derivativepyrimidinecinnamic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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